4-[[1-(chloromethyl)cyclopropyl]methyl]-1,2-difluorobenzene

C11H11ClF2 — CID 82935489

IUPAC4-[[1-(chloromethyl)cyclopropyl]methyl]-1,2-difluorobenzene
SMILESFc1ccc(CC2(CCl)CC2)cc1F
InChIInChI=1S/C11H11ClF2/c12-7-11(3-4-11)6-8-1-2-9(13)10(14)5-8/h1-2,5H,3-4,6-7H2
InChIKeyTVTWMDSFWICNND-UHFFFAOYSA-N
MW216.66 g/mol
LogP3.53
Rot. Bonds3

About 4-[[1-(chloromethyl)cyclopropyl]methyl]-1,2-difluorobenzene

4-[[1-(chloromethyl)cyclopropyl]methyl]-1,2-difluorobenzene (PubChem CID 82935489) has the molecular formula C11H11ClF2 and a molecular weight of 216.66 g/mol. Its IUPAC name is 4-[[1-(chloromethyl)cyclopropyl]methyl]-1,2-difluorobenzene.

Molecular Properties

Compound Name4-[[1-(chloromethyl)cyclopropyl]methyl]-1,2-difluorobenzene
PubChem CID82935489
Molecular FormulaC11H11ClF2
Molecular Weight216.66 g/mol
Exact Mass216.05
IUPAC Name4-[[1-(chloromethyl)cyclopropyl]methyl]-1,2-difluorobenzene
SMILESFc1ccc(CC2(CCl)CC2)cc1F
InChIInChI=1S/C11H11ClF2/c12-7-11(3-4-11)6-8-1-2-9(13)10(14)5-8/h1-2,5H,3-4,6-7H2
InChIKeyTVTWMDSFWICNND-UHFFFAOYSA-N
XLogP3.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.66
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-bromo-4-[[1-(chloromethyl)cyclopropyl]methyl]-1-fluorobenzene
CID 66033542
2-chloro-4-[[1-(chloromethyl)cyclobutyl]methyl]-1-fluorobenzene
CID 103042016
4-[(4-chloro-3-fluorophenyl)methyl]-4-(chloromethyl)oxane
CID 107893120
1,2-dichloro-4-[[1-(chloromethyl)cyclopropyl]methyl]benzene
CID 66033323
N-[[1-[(3,4-difluorophenyl)methyl]cyclobutyl]methyl]ethanamine
CID 82929520
3-[(3-chloro-4-fluorophenyl)methyl]-3-(chloromethyl)bicyclo[3.1.0]hexane
CID 103042099
4-[(3,4-difluorophenyl)methyl]piperidin-4-ol
CID 59003395
2-(chloromethyl)-2-[(3,4-difluorophenyl)methyl]bicyclo[2.2.1]heptane
CID 82934973
N-[[1-[(3,4-difluorophenyl)methyl]cyclohexyl]methyl]cyclopropanamine
CID 82930846
4-[[4-butyl-1-(chloromethyl)cyclohexyl]methyl]-2-chloro-1-fluorobenzene
CID 103042014
3-[(3,4-difluorophenyl)methyl]pyrrolidin-3-ol
CID 82920758
[1-[(3-bromo-4-fluorophenyl)methyl]cyclopropyl]methanol
CID 66024777

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(chloromethyl)cyclopropyl]methyl]-1,2-difluorobenzene?
The IUPAC name of 4-[[1-(chloromethyl)cyclopropyl]methyl]-1,2-difluorobenzene (CID 82935489) is 4-[[1-(chloromethyl)cyclopropyl]methyl]-1,2-difluorobenzene.
What is the SMILES notation for 4-[[1-(chloromethyl)cyclopropyl]methyl]-1,2-difluorobenzene?
The canonical SMILES for 4-[[1-(chloromethyl)cyclopropyl]methyl]-1,2-difluorobenzene is Fc1ccc(CC2(CCl)CC2)cc1F.
What is the InChIKey of 4-[[1-(chloromethyl)cyclopropyl]methyl]-1,2-difluorobenzene?
The InChIKey is TVTWMDSFWICNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF2/c12-7-11(3-4-11)6-8-1-2-9(13)10(14)5-8/h1-2,5H,3-4,6-7H2.
What are the key properties of 4-[[1-(chloromethyl)cyclopropyl]methyl]-1,2-difluorobenzene?
4-[[1-(chloromethyl)cyclopropyl]methyl]-1,2-difluorobenzene has a molecular weight of 216.66 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(chloromethyl)cyclopropyl]methyl]-1,2-difluorobenzene is sourced from PubChem (CID 82935489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).